ScBe5Pt6
Alexandria ALEXAlex-ID: agm006136307 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
Sc3Be2Pt5 BePt
2023-08-19 05:33:38.327561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136307).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006136307
data_agm006136307
_cell_length_a 3.96423
_cell_length_b 6.48378
_cell_length_c 6.28393
_cell_angle_alpha 89.99997
_cell_angle_beta 108.28308
_cell_angle_gamma 89.99988
_cell_volume 153.36337
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.66372 0.50000 0.32582 1.00000
Be2 Be 0.31925 1.00000 0.63720 1.00000
Be3 Be 0.00000 0.50000 0.00000 1.00000
Be4 Be 0.68075 0.00000 0.36280 1.00000
Be5 Be 0.33628 0.50000 0.67418 1.00000
Pt1 Pt 0.82917 0.73062 0.65862 1.00000
Pt2 Pt 0.82918 0.26938 0.65863 1.00000
Pt3 Pt 0.50000 0.27857 0.00000 1.00000
Pt4 Pt 0.50000 0.72143 1.00000 1.00000
Pt5 Pt 0.17082 0.73062 0.34137 1.00000
Pt6 Pt 0.17083 0.26938 0.34138 1.00000
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